Basic information
- CAS
75159-26-1- Standard SMILES
Cl.Cl.O=c1c2ccccc2ncn1CNCNc1ccccc1- InChIKey
VFTBGHMBOZMCKA-UHFFFAOYSA-N- Molecular formula
- C16H18Cl2N4O
- Average molar mass
- 353.2 g/mol
- Monoisotopic mass
- 352.0857666
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-((((phenylamino)methyl)amino)methyl)-, dihydrochloride
- IUPAC
- 3-[(anilinomethylamino)methyl]quinazolin-4-one;dihydrochloride
Names & synonyms
75159-26-14(3H)-Quinazolinone, 3-((((phenylamino)methyl)amino)methyl)-, dihydrochlorideDTXSID602261283-((((Phenylamino)methyl)amino)methyl)-4(3H)-quinazolinone dihydrochlorideRefChem:283918DTXCID601486193-{[(Anilinomethyl)amino]methyl}quinazolin-4(3H)-one--hydrogen chloride (1/2)
Database identifiers
- CAS
75159-26-1- PubChem CID
- 63564
- DTXSID
DTXSID60226128
Properties
Computed structural properties
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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